# generated using pymatgen
data_Sc3Nb(SnRu3)2
_symmetry_space_group_name_H-M   'P 1'
_cell_length_a   4.50681986
_cell_length_b   6.39313990
_cell_length_c   13.50327452
_cell_angle_alpha   89.99997877
_cell_angle_beta   89.99999062
_cell_angle_gamma   90.00003855
_symmetry_Int_Tables_number   1
_chemical_formula_structural   Sc3Nb(SnRu3)2
_chemical_formula_sum   'Sc6 Nb2 Sn4 Ru12'
_cell_volume   389.06620121
_cell_formula_units_Z   2
loop_
 _symmetry_equiv_pos_site_id
 _symmetry_equiv_pos_as_xyz
  1  'x, y, z'
loop_
 _atom_site_type_symbol
 _atom_site_label
 _atom_site_symmetry_multiplicity
 _atom_site_fract_x
 _atom_site_fract_y
 _atom_site_fract_z
 _atom_site_occupancy
  Sc  Sc0  1  0.00000019  0.49999871  0.00402447  1.0
  Sc  Sc1  1  0.49999462  0.99999804  0.16608918  1.0
  Sc  Sc2  1  0.99999568  0.50000038  0.33390956  1.0
  Sc  Sc3  1  0.50000343  0.99999953  0.49597572  1.0
  Sc  Sc4  1  0.00000249  0.50000214  0.66317676  1.0
  Sc  Sc5  1  0.50000395  0.99999853  0.83682340  1.0
  Nb  Nb6  1  0.00000750  0.00000114  0.66615728  1.0
  Nb  Nb7  1  0.50000495  0.49999915  0.83384250  1.0
  Sn  Sn8  1  0.00000002  0.99999895  0.00104212  1.0
  Sn  Sn9  1  0.49999489  0.49999990  0.16779163  1.0
  Sn  Sn10  1  0.99999454  0.99999920  0.33220588  1.0
  Sn  Sn11  1  0.50000022  0.50000073  0.49895604  1.0
  Ru  Ru12  1  0.49999980  0.25685791  0.99383874  1.0
  Ru  Ru13  1  0.49999938  0.74314112  0.99383898  1.0
  Ru  Ru14  1  0.99999369  0.25110943  0.16598232  1.0
  Ru  Ru15  1  0.99999394  0.74888888  0.16598241  1.0
  Ru  Ru16  1  0.49999340  0.24888848  0.33401873  1.0
  Ru  Ru17  1  0.49999341  0.75111168  0.33401867  1.0
  Ru  Ru18  1  0.00000085  0.24314192  0.50616146  1.0
  Ru  Ru19  1  0.00000028  0.75685945  0.50616130  1.0
  Ru  Ru20  1  0.50000595  0.24629931  0.66962251  1.0
  Ru  Ru21  1  0.50000308  0.75370205  0.66962247  1.0
  Ru  Ru22  1  0.00000277  0.25370591  0.83037873  1.0
  Ru  Ru23  1  0.00000598  0.74629445  0.83037815  1.0